NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9052 8.3544 109.7375 45.7286 0.0000 173.3721 2 S 4.4362 8.5574 119.0122 55.2814 64.1399 171.8294 3 S 4.2436 8.8874 123.0009 58.3189 63.3959 172.6208 4 G 3.9345 8.7244 118.7271 46.1079 0.0000 172.8149 5 S 4.7639 7.6466 118.5235 57.9431 64.2013 176.8327 6 S 4.1201 8.7656 116.8804 62.2602 62.6696 174.9279 7 G 3.7743 7.9579 107.2612 45.3649 0.0000 170.2889 8 P 4.4587 0.0000 0.0000 62.2728 32.2176 175.8947 9 V 3.8553 7.9073 112.1909 61.0730 32.9835 175.1201 10 G 3.8618 8.3508 109.7851 45.4106 0.0000 172.9106 11 W 4.2468 7.9632 118.9535 54.5016 29.7225 175.2728 12 Q 4.1148 8.6783 126.8203 55.8744 29.2010 175.0473 13 C 4.2857 8.7507 126.8451 59.5561 32.2290 172.5753 14 P 4.6551 0.0000 0.0000 63.7729 31.1675 176.4111 15 G 3.9731 8.2017 106.6325 47.0976 0.0000 173.7026 16 C 4.6406 8.1816 111.1398 56.6271 30.3626 173.3568 17 T 3.5717 7.8414 109.7615 62.9008 67.6795 173.6954 18 F 4.4896 7.9397 123.5972 57.3425 38.2098 171.7940 19 I 3.2986 7.1269 126.2736 59.6932 36.8457 173.5104 20 N 4.1202 7.8503 124.7700 51.0568 40.3017 174.8352 21 K 3.9796 8.4048 122.0890 56.1582 33.2350 175.7402 22 P 4.7130 0.0000 0.0000 64.3326 31.3765 176.7762 23 T 4.3571 7.8150 108.1332 61.7610 70.1811 174.2439 24 R 4.4776 7.8011 123.5642 54.1658 29.7781 174.1332 25 P 4.6638 0.0000 0.0000 63.7641 32.1246 175.6009 26 G 4.7675 8.2539 107.1183 44.9566 0.0000 171.8775 27 C 4.9303 8.3177 117.0312 57.6000 33.3884 173.6348 28 E 4.2041 8.6474 121.9032 57.8626 29.8723 176.5134 29 M 3.8964 6.8014 118.0724 56.5262 32.6863 175.6491 30 C 4.3863 7.8628 110.7652 57.9731 30.5376 173.8482 31 C 5.2374 7.8858 116.8762 59.3898 29.4129 172.6808 32 R 4.2542 7.9776 119.9069 55.6097 30.3728 175.0577 33 A 4.1788 8.7047 128.3458 50.7382 19.6661 176.7320 34 R 3.1363 8.0408 121.0757 54.8011 30.9959 174.8898 35 P 4.2640 0.0000 0.0000 62.5883 30.9778 176.4781 36 E 3.7345 8.9398 124.0321 59.6139 29.6796 178.8650 37 A 4.0338 8.1993 119.6959 55.4147 18.3360 177.2112 38 Y 4.3263 7.6953 115.3031 57.8068 39.3630 175.5217 39 Q 4.1305 6.6116 120.0317 53.7478 31.1475 174.8755 40 V 4.2098 7.7446 121.3141 58.7974 33.3855 174.5545 41 P 4.3156 0.0000 0.0000 61.9239 29.4926 175.5866 42 A 4.0041 8.1845 128.8452 53.3855 19.0598 176.6602 43 S 3.8011 8.5161 111.4086 60.1161 60.1534 171.5911 44 Y 4.6922 8.0528 119.0290 55.9473 40.8794 174.2067 45 Q 4.6571 7.0393 122.7590 53.2742 32.6818 174.3280 46 P 4.5174 0.0000 0.0000 63.2756 31.5120 176.1819 47 S 3.6137 7.5872 114.1550 59.6841 60.4307 172.3358 48 G 3.7813 7.8820 107.6230 44.5137 0.0000 171.7755 49 P 4.4606 0.0000 0.0000 62.6409 32.0521 174.9021 50 S 4.4644 7.7845 112.0135 57.9414 65.4967 172.5986 51 S 3.6080 9.1447 113.7964 60.0555 59.9165 172.8533 52 G 4.3305 8.2502 112.8659 46.2127 0.0000 173.6785 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.56 4.44 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.89 4.24 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.72 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.65 4.76 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.77 4.12 0.00 3.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.46 0.00 2.12 2.05 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 9 V 7.91 3.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 10 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.96 4.25 0.00 2.59 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.68 4.11 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 13 C 8.75 4.29 0.00 3.11 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.66 0.00 2.26 2.20 0.00 4.07 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 15 G 8.20 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.18 4.64 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.84 3.57 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 18 F 7.94 4.49 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.13 3.30 1.48 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.66 0.00 0.00 20 N 7.85 4.12 0.00 1.44 1.63 0.00 0.00 5.90 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.40 3.98 0.00 1.67 1.78 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.39 7.81 22 P 0.00 4.71 0.00 1.82 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 0.00 23 T 7.81 4.36 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 24 R 7.80 4.48 0.00 1.97 1.96 0.00 3.13 0.00 0.00 3.53 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 25 P 0.00 4.66 0.00 2.16 2.28 0.00 3.81 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 26 G 8.25 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.32 4.93 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.65 4.20 0.00 1.99 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 29 M 6.80 3.90 0.00 1.86 1.73 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.31 0.00 30 C 7.86 4.39 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 7.89 5.24 0.00 3.03 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.98 4.25 0.00 2.01 1.91 0.00 3.33 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 33 A 8.70 4.18 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.04 3.14 0.00 0.67 1.29 0.00 2.54 0.00 0.00 2.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 35 P 0.00 4.26 0.00 2.24 2.19 0.00 2.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 36 E 8.94 3.73 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 37 A 8.20 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.70 4.33 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 6.61 4.13 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.50 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.00 40 V 7.74 4.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.00 0.00 0.00 41 P 0.00 4.32 0.00 2.27 2.15 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 42 A 8.18 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.52 3.80 0.00 4.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.05 4.69 0.00 3.18 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.04 4.66 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 46 P 0.00 4.52 0.00 2.19 2.20 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 47 S 7.59 3.61 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.46 0.00 2.18 2.07 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 50 S 7.78 4.46 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.14 3.61 0.00 4.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.25 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00